N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide

C17H20N8O — CID 86771410

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1nncn1C
InChIInChI=1S/C17H20N8O/c1-12(16-21-18-11-23(16)2)19-17(26)24-8-14(9-24)25-10-15(20-22-25)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,19,26)
InChIKeyPBXJGSZPULFIJC-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.40
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide (PubChem CID 86771410) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
PubChem CID86771410
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide
SMILESCC(NC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1nncn1C
InChIInChI=1S/C17H20N8O/c1-12(16-21-18-11-23(16)2)19-17(26)24-8-14(9-24)25-10-15(20-22-25)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,19,26)
InChIKeyPBXJGSZPULFIJC-UHFFFAOYSA-N
XLogP1.40
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide (CID 86771410) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide is CC(NC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide?
The InChIKey is PBXJGSZPULFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-12(16-21-18-11-23(16)2)19-17(26)24-8-14(9-24)25-10-15(20-22-25)13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,19,26).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(4-phenyltriazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 86771410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).